%chk=000125587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125587

0 1
 O   -2.651200     -0.5289000      -1.051700    
 O  -0.9766000     -0.2589000      -2.571100    
 O   0.5338000       2.976700       1.060000    
 O    1.406900      -2.741500       1.273300    
 N   0.8822000      5.3399999E-02 -0.1917000    
 C  -0.5095000     -0.1592000     -0.1959000    
 C   -1.370900     -0.2524000      0.8305000    
 C   -2.770200     -0.4540000      0.3661000    
 C    1.518900       1.282800     -0.2305000    
 C    1.856800     -0.9296000     -0.1479000    
 C   -1.353200     -0.3255000      -1.413100    
 C   -1.116800     -0.2901000       2.303000    
 C   -3.707300      0.6904000      0.7223000    
 C    2.880400       1.075100     -0.2123000    
 C    3.094200     -0.3246000     -0.1599000    
 C   0.7653000       2.554700     -0.2824000    
 C    1.517200      -2.368600     -9.8700002E-02
 H   -3.173600      -1.407300      0.7248000    
 H   -1.502200      -1.218700       2.735500    
 H   -1.599600      0.5563000       2.800600    
 H  -4.6399999E-02 -0.2382000       2.525500    
 H   -4.683600      0.5413000      0.2482000    
 H   -3.856900      0.7686000       1.803400    
 H   -3.324500       1.648900      0.3531000    
 H    3.638900       1.845400     -0.2336000    
 H    4.047900     -0.8333000     -0.1333000    
 H    1.355700       3.331800     -0.7786000    
 H  -0.1909000       2.482800     -0.8085000    
 H   0.5769000      -2.608100     -0.6024000    
 H    2.301200      -2.978300     -0.5600000    
 H  -0.1073000       2.363100       1.457100    
 H    2.287600      -2.651600       1.676300    


%chk=000125587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125587

0 1
O -2.647996 -0.235858 -1.128685
O -0.904150 0.207474 -2.633222
O 0.206868 3.082778 0.802216
O 1.017646 -2.787499 1.413267
N 0.911859 0.100030 -0.173416
C -0.502750 -0.049852 -0.193790
C -1.327910 -0.289985 0.870458
C -2.750598 -0.439548 0.350922
C 1.599878 1.324627 -0.310382
C 1.846444 -0.958731 -0.089138
C -1.282382 -0.000149 -1.469362
C -0.962876 -0.428558 2.314520
C -3.769769 0.561279 0.915805
C 2.969835 1.036292 -0.293642
C 3.124166 -0.384626 -0.162632
C 0.879342 2.632365 -0.446970
C 1.449993 -2.394307 0.037571
H -3.106802 -1.478295 0.496745
H -0.885780 -1.501394 2.574624
H -1.719438 0.035001 2.972479
H 0.022500 0.022509 2.517265
H -4.734315 0.439156 0.396724
H -3.930236 0.385007 1.994355
H -3.425381 1.599656 0.768952
H 3.763428 1.777493 -0.373847
H 4.060852 -0.941056 -0.140111
H 1.613315 3.424360 -0.658234
H 0.146743 2.604895 -1.279715
H 0.575295 -2.647303 -0.584211
H 2.301117 -3.025943 -0.282078
H -0.571626 2.491322 0.966548
H 1.755926 -2.558642 2.035082


